methyl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-33-25(32)22(17-19-11-5-2-6-12-19)27-23(31)18-34-26-29-28-24(20-13-7-3-8-14-20)30(26)21-15-9-4-10-16-21/h2-16,22H,17-18H2,1H3,(H,27,31)