3-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione Openeye Name: 3-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione CAS Name: 3-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]pentane-2,4-dione IUPAC Name: 3-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione Traditional Name: 3-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]pentane-2,4-dione Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

InChI

InChI=1S/C16H16N4O2S/c1-9(21)14(10(2)22)23-16-19-18-15(20(16)3)12-8-17-13-7-5-4-6-11(12)13/h4-8,14,18H,1-3H3