8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C16H13N5OS2/c1-9-4-2-5-10-13(9)17-12(18-15(10)22)8-24-16-19-14(20-21-16)11-6-3-7-23-11/h2-7H,8H2,1H3,(H,17,18,22)(H,19,20,21)