5-methyl-N-phenyl-benzotriazole-1-carbothioamide

Systemtic Name: 5-methyl-N-phenyl-benzotriazole-1-carbothioamide Openeye Name: 5-methyl-N-phenyl-benzotriazole-1-carbothioamide CAS Name: 5-methyl-N-phenyl-1-benzotriazolecarbothioamide IUPAC Name: 5-methyl-N-phenylbenzotriazole-1-carbothioamide Traditional Name: 5-methyl-N-phenyl-benzotriazole-1-carbothioamide Formula: C14H12N4S MolecularWeight: 268.33688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C14H12N4S/c1-10-7-8-13-12(9-10)16-17-18(13)14(19)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,19)