N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H18N6O2S/c1-26(10-17-23-16-5-3-2-4-15(16)18(27)24-17)19(28)14-8-6-13(7-9-14)11-29-20-21-12-22-25-20/h2-9,12H,10-11H2,1H3,(H,21,22,25)(H,23,24,27)