2-[[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C21H21ClN4S MolecularWeight: 396.93624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)CNC3=C(C4=C(S3)CCCC4)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)CNC3=C(C4=C(S3)CCCC4)C#N)Cl

InChI

InChI=1S/C21H21ClN4S/c1-13-7-9-15(10-8-13)26-20(22)18(14(2)25-26)12-24-21-17(11-23)16-5-3-4-6-19(16)27-21/h7-10,24H,3-6,12H2,1-2H3