2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-methyl-2-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-[4-methyl-2-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-piperidinosulfonyl-phenyl)acetamide Formula: C30H30N6O3S2 MolecularWeight: 586.7276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=CC=C5)S(=O)(=O)N6CCCCC6

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=CC=C5)S(=O)(=O)N6CCCCC6

InChI

InChI=1S/C30H30N6O3S2/c1-21-14-15-26(27(18-21)41(38,39)35-16-8-3-9-17-35)32-28(37)20-40-30-34-33-29(36(30)22-10-4-2-5-11-22)24-19-31-25-13-7-6-12-23(24)25/h2,4-7,10-15,18-19,33H,3,8-9,16-17,20H2,1H3,(H,32,37)/b29-24-