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

Systemtic Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: (3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: (3-cyclopropyl-4-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)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C[NH+](C)CN1C(=S)N(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-3-11-19-16(24)12-21(2)13-22-18(25)23(15-7-5-4-6-8-15)17(20-22)14-9-10-14/h4-8,14H,3,9-13H2,1-2H3,(H,19,24)/p+1