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

Systemtic Name: methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[(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-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(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-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CC=CC=C2)CC=C

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2=CC=CC=C2)CC=C

InChI

InChI=1S/C18H25N5OS/c1-5-11-22-17(15-9-7-6-8-10-15)20-23(18(22)25)13-21(4)12-16(24)19-14(2)3/h5-10,14H,1,11-13H2,2-4H3,(H,19,24)/p+1