2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-[[(5E)-5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C29H28N6O3S2 MolecularWeight: 572.70102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NNC(=C4C=C5C=CC=CC5=N4)N3C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN/C(=C/4\C=C5C=CC=CC5=N4)/N3C6=CC=CC=C6

InChI

InChI=1S/C29H28N6O3S2/c1-20(28(36)30-22-13-15-24(16-14-22)40(37,38)34-17-7-8-18-34)39-29-33-32-27(35(29)23-10-3-2-4-11-23)26-19-21-9-5-6-12-25(21)31-26/h2-6,9-16,19-20,32H,7-8,17-18H2,1H3,(H,30,36)/b27-26-