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

Systemtic Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-1-yl-prop-2-enoic acid Openeye Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(1-naphthyl)prop-2-enoic acid CAS Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(1-naphthalenyl)-2-propenoic acid IUPAC Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-naphthalen-1-ylprop-2-enoic acid Traditional Name: (E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-(1-naphthyl)acrylic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=CC3=CC=CC=C32)/C(=O)O

InChI

InChI=1S/C16H13N3O2S/c1-10-17-16(19-18-10)22-14(15(20)21)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3,(H,20,21)(H,17,18,19)/b14-9+