ethyl 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C

InChI

InChI=1S/C20H24N6O3S/c1-3-29-20(28)26-10-8-25(9-11-26)17(27)13-30-19-23-22-18(24(19)2)15-12-21-16-7-5-4-6-14(15)16/h4-7,12,22H,3,8-11,13H2,1-2H3