5-(2-azanylpyridin-4-yl)-4-(2-chlorophenyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile

Systemtic Name: 5-(2-azanylpyridin-4-yl)-4-(2-chlorophenyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile Openeye Name: 5-(2-amino-4-pyridyl)-2-(benzylamino)-4-(2-chlorophenyl)thiophene-3-carbonitrile CAS Name: 5-(2-amino-4-pyridinyl)-4-(2-chlorophenyl)-2-[(phenylmethyl)amino]-3-thiophenecarbonitrile IUPAC Name: 5-(2-aminopyridin-4-yl)-2-(benzylamino)-4-(2-chlorophenyl)thiophene-3-carbonitrile Traditional Name: 5-(2-amino-4-pyridyl)-2-(benzylamino)-4-(2-chlorophenyl)thiophene-3-carbonitrile Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(S2)C3=CC(=NC=C3)N)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(S2)C3=CC(=NC=C3)N)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C23H17ClN4S/c24-19-9-5-4-8-17(19)21-18(13-25)23(28-14-15-6-2-1-3-7-15)29-22(21)16-10-11-27-20(26)12-16/h1-12,28H,14H2,(H2,26,27)