3-[4-[(4-methylphenyl)amino]-1,2,3-triazol-1-yl]-3-oxidanyl-2-thiophen-2-yl-prop-1-en-1-one

Systemtic Name: 3-[4-[(4-methylphenyl)amino]-1,2,3-triazol-1-yl]-3-oxidanyl-2-thiophen-2-yl-prop-1-en-1-one Openeye Name: 3-hydroxy-3-[4-(4-methylanilino)triazol-1-yl]-2-(2-thienyl)prop-1-en-1-one CAS Name: 3-hydroxy-3-[4-(4-methylanilino)-1-triazolyl]-2-thiophen-2-yl-1-propen-1-one IUPAC Name: 3-hydroxy-3-[4-(4-methylanilino)triazol-1-yl]-2-thiophen-2-ylprop-1-en-1-one Traditional Name: 3-hydroxy-3-[4-(p-toluidino)triazol-1-yl]-2-(2-thienyl)prop-1-en-1-one Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CN(N=N2)C(C(=C=O)C3=CC=CS3)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CN(N=N2)C(C(=C=O)C3=CC=CS3)O

InChI

InChI=1S/C16H14N4O2S/c1-11-4-6-12(7-5-11)17-15-9-20(19-18-15)16(22)13(10-21)14-3-2-8-23-14/h2-9,16-17,22H,1H3