2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H15N5OS2/c24-16-13-8-4-5-9-14(13)20-15(21-16)11-25-18-23-22-17(26-18)19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H,20,21,24)