N-[(1R)-1-(benzotriazol-1-yl)but-3-enyl]-4-chloranyl-benzenecarbothioamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)but-3-enyl]-4-chloranyl-benzenecarbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)but-3-enyl]-4-chloro-benzenecarbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)but-3-enyl]-4-chlorobenzenecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)but-3-enyl]-4-chlorobenzenecarbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)but-3-enyl]-4-chloro-thiobenzamide Formula: C17H15ClN4S MolecularWeight: 342.8458

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(NC(=S)C1=CC=C(C=C1)Cl)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C=CC[C@H](NC(=S)C1=CC=C(C=C1)Cl)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H15ClN4S/c1-2-5-16(19-17(23)12-8-10-13(18)11-9-12)22-15-7-4-3-6-14(15)20-21-22/h2-4,6-11,16H,1,5H2,(H,19,23)/t16-/m1/s1