2-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2C5=CC=CC=C5

InChI

InChI=1S/C22H21N5OS/c28-20(26-12-6-7-13-26)15-29-22-25-24-21(27(22)17-9-2-1-3-10-17)19-14-16-8-4-5-11-18(16)23-19/h1-5,8-11,14,24H,6-7,12-13,15H2