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

Systemtic Name: methyl 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

COC(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1C4CC4

InChI

InChI=1S/C16H16N4O2S/c1-22-14(21)9-23-16-19-18-15(20(16)10-6-7-10)12-8-17-13-5-3-2-4-11(12)13/h2-5,8,10,18H,6-7,9H2,1H3/b15-12-