phenyl-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

Systemtic Name: phenyl-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone Openeye Name: [2-(4-isopropyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-phenyl-methanone CAS Name: phenyl-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]methanone IUPAC Name: phenyl-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone Traditional Name: [2-(4-isopropyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrrolidino]-phenyl-methanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NNC1=S)C2CCCN2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NNC1=S)C2CCCN2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-11(2)20-14(17-18-16(20)22)13-9-6-10-19(13)15(21)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,18,22)