methyl (E)-2-[2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-3-methoxy-prop-2-enoate

Systemtic Name: methyl (E)-2-[2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-3-methoxy-prop-2-enoate Openeye Name: methyl (E)-2-[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-3-methoxy-prop-2-enoate CAS Name: (E)-2-[2-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-3-methoxy-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-3-methoxyprop-2-enoate Traditional Name: (E)-2-[2-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-3-methoxy-acrylic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC=C(C1=CC=CC=C1CSC2=NN=C(N2N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CO/C=C(\C1=CC=CC=C1CSC2=NN=C(N2N)C3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C20H20N4O3S/c1-26-12-17(19(25)27-2)16-11-7-6-10-15(16)13-28-20-23-22-18(24(20)21)14-8-4-3-5-9-14/h3-12H,13,21H2,1-2H3/b17-12+