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

Systemtic Name: methyl (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: (2R)-2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

InChI

InChI=1S/C16H18N4O2S/c1-4-13(15(21)22-3)23-16-19-18-14(20(16)2)11-9-17-12-8-6-5-7-10(11)12/h5-9,13,18H,4H2,1-3H3/t13-/m1/s1