3-methyl-1-phenyl-5-(quinazolin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-(quinazolin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-(quinazolin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[(4-quinazolinylthio)methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-(quinazolin-4-ylsulfanylmethyl)pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(quinazolin-4-ylthio)methyl]pyrazole-4-carbonitrile Formula: C20H15N5S MolecularWeight: 357.4316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5S/c1-14-17(11-21)19(25(24-14)15-7-3-2-4-8-15)12-26-20-16-9-5-6-10-18(16)22-13-23-20/h2-10,13H,12H2,1H3