2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-morpholin-4-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-morpholin-4-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-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-[4-methyl-2-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-morpholinosulfonyl-phenyl)acetamide Formula: C29H28N6O4S2 MolecularWeight: 588.70042

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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)N6CCOCC6

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)N6CCOCC6

InChI

InChI=1S/C29H28N6O4S2/c1-20-11-12-25(26(17-20)41(37,38)34-13-15-39-16-14-34)31-27(36)19-40-29-33-32-28(35(29)21-7-3-2-4-8-21)23-18-30-24-10-6-5-9-22(23)24/h2-12,17-18,32H,13-16,19H2,1H3,(H,31,36)/b28-23-