2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C23H23N5OS2 MolecularWeight: 449.59162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)C6=CC=CS6

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5)C6=CC=CS6

InChI

InChI=1S/C23H23N5OS2/c29-21(27-11-3-7-19(27)20-8-4-12-30-20)14-31-23-26-25-22(28(23)15-9-10-15)17-13-24-18-6-2-1-5-16(17)18/h1-2,4-6,8,12-13,15,19,25H,3,7,9-11,14H2/b22-17-