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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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