N-[(1R)-1-(benzotriazol-1-yl)pentyl]-4-chloranyl-benzenecarbothioamide

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)pentyl]-4-chloranyl-benzenecarbothioamide Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)pentyl]-4-chloro-benzenecarbothioamide CAS Name: N-[(1R)-1-(1-benzotriazolyl)pentyl]-4-chlorobenzenecarbothioamide IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)pentyl]-4-chlorobenzenecarbothioamide Traditional Name: N-[(1R)-1-(benzotriazol-1-yl)pentyl]-4-chloro-thiobenzamide Formula: C18H19ClN4S MolecularWeight: 358.88826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4S/c1-2-3-8-17(20-18(24)13-9-11-14(19)12-10-13)23-16-7-5-4-6-15(16)21-22-23/h4-7,9-12,17H,2-3,8H2,1H3,(H,20,24)/t17-/m1/s1