5-chloranyl-N-prop-2-enyl-benzotriazole-1-carbothioamide

Systemtic Name: 5-chloranyl-N-prop-2-enyl-benzotriazole-1-carbothioamide Openeye Name: N-allyl-5-chloro-benzotriazole-1-carbothioamide CAS Name: 5-chloro-N-prop-2-enyl-1-benzotriazolecarbothioamide IUPAC Name: 5-chloro-N-prop-2-enylbenzotriazole-1-carbothioamide Traditional Name: N-allyl-5-chloro-benzotriazole-1-carbothioamide Formula: C10H9ClN4S MolecularWeight: 252.72326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1C2=C(C=C(C=C2)Cl)N=N1

Isomeric SMILES

C=CCNC(=S)N1C2=C(C=C(C=C2)Cl)N=N1

InChI

InChI=1S/C10H9ClN4S/c1-2-5-12-10(16)15-9-4-3-7(11)6-8(9)13-14-15/h2-4,6H,1,5H2,(H,12,16)