4-(2-chloranyl-4-methoxy-phenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile

Systemtic Name: 4-(2-chloranyl-4-methoxy-phenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile Openeye Name: 4-(2-chloro-4-methoxy-phenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile CAS Name: 4-(2-chloro-4-methoxyphenyl)-2-(4-morpholinyl)-5-(1H-1,2,4-triazol-5-yl)-3-thiophenecarbonitrile IUPAC Name: 4-(2-chloro-4-methoxyphenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile Traditional Name: 4-(2-chloro-4-methoxy-phenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(SC(=C2C#N)N3CCOCC3)C4=NC=NN4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(SC(=C2C#N)N3CCOCC3)C4=NC=NN4)Cl

InChI

InChI=1S/C18H16ClN5O2S/c1-25-11-2-3-12(14(19)8-11)15-13(9-20)18(24-4-6-26-7-5-24)27-16(15)17-21-10-22-23-17/h2-3,8,10H,4-7H2,1H3,(H,21,22,23)