2-[[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C(=N3)C4CC4)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C(=N3)C4CC4)C

InChI

InChI=1S/C18H22N6OS/c1-3-23(11-24-18(26)22(2)16(21-24)12-8-9-12)10-15-19-14-7-5-4-6-13(14)17(25)20-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,25)