4-(4-methylphenyl)-2-methylsulfanyl-5-(3-phenylazanyl-1,2,4-triazin-5-yl)thiophene-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-5-(3-phenylazanyl-1,2,4-triazin-5-yl)thiophene-3-carbonitrile Openeye Name: 5-(3-anilino-1,2,4-triazin-5-yl)-2-methylsulfanyl-4-(p-tolyl)thiophene-3-carbonitrile CAS Name: 5-(3-anilino-1,2,4-triazin-5-yl)-4-(4-methylphenyl)-2-(methylthio)-3-thiophenecarbonitrile IUPAC Name: 5-(3-anilino-1,2,4-triazin-5-yl)-4-(4-methylphenyl)-2-methylsulfanylthiophene-3-carbonitrile Traditional Name: 5-(3-anilino-1,2,4-triazin-5-yl)-2-(methylthio)-4-(p-tolyl)thiophene-3-carbonitrile Formula: C22H17N5S2 MolecularWeight: 415.53388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C3=CN=NC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C3=CN=NC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H17N5S2/c1-14-8-10-15(11-9-14)19-17(12-23)21(28-2)29-20(19)18-13-24-27-22(26-18)25-16-6-4-3-5-7-16/h3-11,13H,1-2H3,(H,25,26,27)