N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-phenylethenylsulfanyl)propanamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-phenylethenylsulfanyl)propanamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-styrylsulfanyl-propanamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(2-phenylethenylthio)propanamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-phenylethenylsulfanyl)propanamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(styrylthio)propionamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CSCCC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C=CSCCC(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H20N6OS/c28-21(11-13-29-12-10-17-6-2-1-3-7-17)23-18-14-22-26(15-18)16-27-20-9-5-4-8-19(20)24-25-27/h1-10,12,14-15H,11,13,16H2,(H,23,28)