2-[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one

Systemtic Name: 2-[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Openeye Name: 2-[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one CAS Name: 2-[[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-1H-quinolin-4-one IUPAC Name: 2-[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Traditional Name: 2-[[[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-4-quinolone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NNC(=N3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C20H18N4O2S/c1-12-6-7-17-16(8-12)18(25)10-14(21-17)11-27-20-22-19(23-24-20)13-4-3-5-15(9-13)26-2/h3-10H,11H2,1-2H3,(H,21,25)(H,22,23,24)