1-chloranyl-4-hexan-2-yl-benzene; 1,2,4-triazole-1-carboxamide

Systemtic Name: 1-chloranyl-4-hexan-2-yl-benzene; 1,2,4-triazole-1-carboxamide Openeye Name: 1-chloro-4-(1-methylpentyl)benzene; 1,2,4-triazole-1-carboxamide CAS Name: 1-chloro-4-hexan-2-ylbenzene; 1,2,4-triazole-1-carboxamide IUPAC Name: 1-chloro-4-hexan-2-ylbenzene; 1,2,4-triazole-1-carboxamide Traditional Name: 1-chloro-4-(1-methylpentyl)benzene; 1,2,4-triazole-1-carboxamide Formula: C15H21ClN4O MolecularWeight: 308.80644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC=C(C=C1)Cl.C1=NN(C=N1)C(=O)N

Isomeric SMILES

CCCCC(C)C1=CC=C(C=C1)Cl.C1=NN(C=N1)C(=O)N

InChI

InChI=1S/C12H17Cl.C3H4N4O/c1-3-4-5-10(2)11-6-8-12(13)9-7-11;4-3(8)7-2-5-1-6-7/h6-10H,3-5H2,1-2H3;1-2H,(H2,4,8)