5-azanyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-oxomethyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoyl]pyrazole-4-carbonitrile Formula: C15H13N7OS MolecularWeight: 339.37502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C15H13N7OS/c1-21-9-18-20-15(21)24-8-10-2-4-11(5-3-10)14(23)22-13(17)12(6-16)7-19-22/h2-5,7,9H,8,17H2,1H3