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

Systemtic Name: methyl-(phenylmethyl)-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium Openeye Name: benzyl-[(5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-methyl-ammonium CAS Name: methyl-(phenylmethyl)-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]ammonium IUPAC Name: benzyl-methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium Traditional Name: benzyl-[(5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-methyl-ammonium Formula: C14H21N4S+ MolecularWeight: 277.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=NC(=S)N(N1)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C14H20N4S/c1-11(2)13-15-14(19)18(16-13)10-17(3)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,15,16,19)/p+1