3-methyl-1-phenyl-5-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pyrazole-4-carbonitrile Openeye Name: 5-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]pyrazole-4-carbonitrile Traditional Name: 5-[[(1-isopropyltetrazol-5-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C16H17N7S MolecularWeight: 339.41808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NN=NN2C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NN=NN2C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C16H17N7S/c1-11(2)22-16(18-20-21-22)24-10-15-14(9-17)12(3)19-23(15)13-7-5-4-6-8-13/h4-8,11H,10H2,1-3H3