2-sulfanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-sulfanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazolin-4-one Openeye Name: 2-thioxo-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazolin-4-one CAS Name: 2-sulfanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-sulfanylidene-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-quinazolin-4-one Traditional Name: 2-thioxo-3-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-1H-quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C18H15N5OS/c24-17-15-3-1-2-4-16(15)21-18(25)23(17)10-14-7-5-13(6-8-14)9-22-12-19-11-20-22/h1-8,11-12H,9-10H2,(H,21,25)