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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C18H23N5OS/c1-3-11-22-17(14-7-5-4-6-8-14)20-23(18(22)25)13-21(2)12-16(24)19-15-9-10-15/h3-8,15H,1,9-13H2,2H3,(H,19,24)/p+1