2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C

InChI

InChI=1S/C23H25N5OS/c1-4-27-14(2)11-18(15(27)3)21(29)13-30-23-26-25-22(28(23)16-9-10-16)19-12-24-20-8-6-5-7-17(19)20/h5-8,11-12,16,25H,4,9-10,13H2,1-3H3