[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C17H16N5O2S+ MolecularWeight: 354.40624

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C17H15N5O2S/c1-22(10-15(23)21-17-11(8-18)6-7-25-17)9-14-19-13-5-3-2-4-12(13)16(24)20-14/h2-7H,9-10H2,1H3,(H,21,23)(H,19,20,24)/p+1