2-(5-azanylidene-1,3-dimethyl-1,2,4-triazol-4-yl)-1-naphthalen-2-yl-ethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(5-azanylidene-1,3-dimethyl-1,2,4-triazol-4-yl)-1-naphthalen-2-yl-ethanone; 4-methylbenzenesulfonic acid Openeye Name: 2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)-1-(2-naphthyl)ethanone; 4-methylbenzenesulfonic acid CAS Name: 2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)-1-(2-naphthalenyl)ethanone; 4-methylbenzenesulfonic acid IUPAC Name: 2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)-1-naphthalen-2-ylethanone; 4-methylbenzenesulfonic acid Traditional Name: 2-(5-imino-1,3-dimethyl-1,2,4-triazol-4-yl)-1-(2-naphthyl)ethanone; tosylic acid Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN(C(=N)N1CC(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NN(C(=N)N1CC(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C16H16N4O.C7H8O3S/c1-11-18-19(2)16(17)20(11)10-15(21)14-8-7-12-5-3-4-6-13(12)9-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,17H,10H2,1-2H3;2-5H,1H3,(H,8,9,10)