ethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: ethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: ethyl-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C18H23N6OS+ MolecularWeight: 371.47982

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C(=N3)C)CC=C

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)N(C(=N3)C)CC=C

InChI

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