3-(2-chlorophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: 3-(2-chlorophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(2-chlorophenyl)-1-[3-(3-pyridyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(2-chlorophenyl)-1-[3-(3-pyridinyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(2-chlorophenyl)-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(2-chlorophenyl)-1-[3-(3-pyridyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C=CC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4)Cl

InChI

InChI=1S/C21H16ClN5OS/c22-18-8-2-1-5-15(18)9-10-19(28)27-21(24-14-17-7-4-12-29-17)25-20(26-27)16-6-3-11-23-13-16/h1-13H,14H2,(H,24,25,26)