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

Systemtic Name: methyl N-[(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate CAS Name: N-[(2R)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propanoyl]carbamic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-10(16(24)20-18(25)26-2)27-17-22-21-15(23(17)11-7-8-11)13-9-19-14-6-4-3-5-12(13)14/h3-6,9-11,21H,7-8H2,1-2H3,(H,20,24,25)/t10-/m1/s1