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

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[[(5Z)-5-indol-3-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=NC5=CC=CC=C54)N3C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3C6=CC=CC=C6

InChI

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