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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H17N5O2S2 MolecularWeight: 411.50058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5O2S2/c1-26-13-8-6-12(7-9-13)10-20-18-23-24-19(28-18)27-11-16-21-15-5-3-2-4-14(15)17(25)22-16/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22,25)