(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium CAS Name: (3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-ethylazanium Traditional Name: benzyl-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-ethyl-ammonium Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4S/c1-2-23(15-17-9-5-3-6-10-17)16-24-21(26)25(19-11-7-4-8-12-19)20(22-24)18-13-14-18/h3-12,18H,2,13-16H2,1H3/p+1