2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[(E)-3-phenylprop-2-enyl]thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C19H15N5OS MolecularWeight: 361.4203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C19H15N5OS/c25-17-15-10-4-5-11-16(15)22-19(24(17)18-20-13-21-23-18)26-12-6-9-14-7-2-1-3-8-14/h1-11,13H,12H2,(H,20,21,23)/b9-6+