(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-prop-2-enoic acid

Systemtic Name: (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-prop-2-enoic acid Openeye Name: (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenyl-prop-2-enoic acid CAS Name: (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-phenyl-2-propenoic acid IUPAC Name: (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid Traditional Name: (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-phenyl-acrylic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)S/C(=C\C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C12H11N3O2S/c1-8-13-12(15-14-8)18-10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)(H,13,14,15)/b10-7-