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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-10-5-6-11(16(24)25-2)8-12(10)19-14(23)9-27-17-21-20-15(22(17)18)13-4-3-7-26-13/h3-8H,9,18H2,1-2H3,(H,19,23)