5-(3-azanyl-1,2,4-triazin-5-yl)-4-(4-methoxyphenyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile

Systemtic Name: 5-(3-azanyl-1,2,4-triazin-5-yl)-4-(4-methoxyphenyl)-2-[(phenylmethyl)amino]thiophene-3-carbonitrile Openeye Name: 5-(3-amino-1,2,4-triazin-5-yl)-2-(benzylamino)-4-(4-methoxyphenyl)thiophene-3-carbonitrile CAS Name: 5-(3-amino-1,2,4-triazin-5-yl)-4-(4-methoxyphenyl)-2-[(phenylmethyl)amino]-3-thiophenecarbonitrile IUPAC Name: 5-(3-amino-1,2,4-triazin-5-yl)-2-(benzylamino)-4-(4-methoxyphenyl)thiophene-3-carbonitrile Traditional Name: 5-(3-amino-1,2,4-triazin-5-yl)-2-(benzylamino)-4-(4-methoxyphenyl)thiophene-3-carbonitrile Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=C2C#N)NCC3=CC=CC=C3)C4=CN=NC(=N4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=C2C#N)NCC3=CC=CC=C3)C4=CN=NC(=N4)N

InChI

InChI=1S/C22H18N6OS/c1-29-16-9-7-15(8-10-16)19-17(11-23)21(25-12-14-5-3-2-4-6-14)30-20(19)18-13-26-28-22(24)27-18/h2-10,13,25H,12H2,1H3,(H2,24,27,28)