5-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[(4,6-diamino-1,3,5-triazin-2-yl)thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(4,6-diamino-s-triazin-2-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C15H14N8S MolecularWeight: 338.39026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC(=NC(=N2)N)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC(=NC(=N2)N)N)C3=CC=CC=C3

InChI

InChI=1S/C15H14N8S/c1-9-11(7-16)12(23(22-9)10-5-3-2-4-6-10)8-24-15-20-13(17)19-14(18)21-15/h2-6H,8H2,1H3,(H4,17,18,19,20,21)