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

Systemtic Name: methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: benzyl-methyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4S/c1-15-19-21(14-20(2)13-16-9-5-3-6-10-16)18(23)22(15)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3/p+1