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

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-styrylsulfonyl-propanamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(2-phenylethenylsulfonyl)propanamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-phenylethenylsulfonyl)propanamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-styrylsulfonyl-propionamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3S/c28-21(11-13-31(29,30)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)