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

Systemtic Name: 2-ethoxy-4-(4-methylphenyl)-5-(3-phenylazanyl-1,2,4-triazin-5-yl)thiophene-3-carbonitrile Openeye Name: 5-(3-anilino-1,2,4-triazin-5-yl)-2-ethoxy-4-(p-tolyl)thiophene-3-carbonitrile CAS Name: 5-(3-anilino-1,2,4-triazin-5-yl)-2-ethoxy-4-(4-methylphenyl)-3-thiophenecarbonitrile IUPAC Name: 5-(3-anilino-1,2,4-triazin-5-yl)-2-ethoxy-4-(4-methylphenyl)thiophene-3-carbonitrile Traditional Name: 5-(3-anilino-1,2,4-triazin-5-yl)-2-ethoxy-4-(p-tolyl)thiophene-3-carbonitrile Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(S1)C2=CN=NC(=N2)NC3=CC=CC=C3)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCOC1=C(C(=C(S1)C2=CN=NC(=N2)NC3=CC=CC=C3)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C23H19N5OS/c1-3-29-22-18(13-24)20(16-11-9-15(2)10-12-16)21(30-22)19-14-25-28-23(27-19)26-17-7-5-4-6-8-17/h4-12,14H,3H2,1-2H3,(H,26,27,28)