2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[[4-keto-4-(2-thienyl)butyl]thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C18H15N5O2S2 MolecularWeight: 397.474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=CS3)C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=CS3)C4=NC=NN4

InChI

InChI=1S/C18H15N5O2S2/c24-14(15-8-4-9-26-15)7-3-10-27-18-21-13-6-2-1-5-12(13)16(25)23(18)17-19-11-20-22-17/h1-2,4-6,8-9,11H,3,7,10H2,(H,19,20,22)