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

Systemtic Name: 2-[[ethyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]amino]methyl]-1H-quinazolin-4-one Formula: C18H18N6OS2 MolecularWeight: 398.50512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C18H18N6OS2/c1-2-23(10-15-19-13-7-4-3-6-12(13)17(25)20-15)11-24-18(26)21-16(22-24)14-8-5-9-27-14/h3-9H,2,10-11H2,1H3,(H,19,20,25)(H,21,22,26)