N-(diphenylmethyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(diphenylmethyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzhydryl-propanamide CAS Name: N-(diphenylmethyl)-3-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-benzhydryl-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-benzhydryl-propionamide Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H25N5OS/c1-2-17-31-25(22-14-9-16-27-19-22)29-30-26(31)33-18-15-23(32)28-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h2-14,16,19,24H,1,15,17-18H2,(H,28,32)