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

Systemtic Name: (phenylmethyl) 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-24-19(16-11-21-17-10-6-5-9-15(16)17)22-23-20(24)27-13-18(25)26-12-14-7-3-2-4-8-14/h2-11,22H,12-13H2,1H3