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

Systemtic Name: 3-[(4-methylphenyl)amino]-3-methylsulfanyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Openeye Name: 3-(4-methylanilino)-3-methylsulfanyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one CAS Name: 3-(4-methylanilino)-3-(methylthio)-1-phenyl-2-(1,2,4-triazol-1-yl)-2-propen-1-one IUPAC Name: 3-(4-methylanilino)-3-methylsulfanyl-1-phenyl-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Traditional Name: 3-(methylthio)-1-phenyl-3-(p-toluidino)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CC=C2)N3C=NC=N3)SC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C(C(=O)C2=CC=CC=C2)N3C=NC=N3)SC

InChI

InChI=1S/C19H18N4OS/c1-14-8-10-16(11-9-14)22-19(25-2)17(23-13-20-12-21-23)18(24)15-6-4-3-5-7-15/h3-13,22H,1-2H3