methyl 4-[[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-25-16(24)12-6-4-11(5-7-12)9-19-14(23)10-27-17-21-20-15(22(17)18)13-3-2-8-26-13/h2-8H,9-10,18H2,1H3,(H,19,23)