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

Systemtic Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[(5E)-5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[(5E)-5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C28H26N6O3S2 MolecularWeight: 558.67444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=C4C=C5C=CC=CC5=N4)N3C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN/C(=C/4\C=C5C=CC=CC5=N4)/N3C6=CC=CC=C6

InChI

InChI=1S/C28H26N6O3S2/c35-26(29-21-12-14-23(15-13-21)39(36,37)33-16-6-7-17-33)19-38-28-32-31-27(34(28)22-9-2-1-3-10-22)25-18-20-8-4-5-11-24(20)30-25/h1-5,8-15,18,31H,6-7,16-17,19H2,(H,29,35)/b27-25-