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

Systemtic Name: methyl (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C17H18N4O2S/c1-10(16(22)23-2)24-17-20-19-15(21(17)11-7-8-11)13-9-18-14-6-4-3-5-12(13)14/h3-6,9-11,19H,7-8H2,1-2H3/t10-/m1/s1