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

Systemtic Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-piperidinosulfonylphenyl)acetamide Formula: C29H28N6O3S2 MolecularWeight: 572.70102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3C6=CC=CC=C6

InChI

InChI=1S/C29H28N6O3S2/c36-27(31-21-13-15-23(16-14-21)40(37,38)34-17-7-2-8-18-34)20-39-29-33-32-28(35(29)22-9-3-1-4-10-22)25-19-30-26-12-6-5-11-24(25)26/h1,3-6,9-16,19,32H,2,7-8,17-18,20H2,(H,31,36)/b28-25-