4-butyl-1H-1,2,4-triazole-5-thione; 1-chloranyl-4-methyl-benzene

Systemtic Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-chloranyl-4-methyl-benzene Openeye Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-chloro-4-methyl-benzene CAS Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-chloro-4-methylbenzene IUPAC Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-chloro-4-methylbenzene Traditional Name: 4-butyl-1H-1,2,4-triazole-5-thione; 1-chloro-4-methyl-benzene Formula: C13H18ClN3S MolecularWeight: 283.82012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NNC1=S.CC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCN1C=NNC1=S.CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C7H7Cl.C6H11N3S/c1-6-2-4-7(8)5-3-6;1-2-3-4-9-5-7-8-6(9)10/h2-5H,1H3;5H,2-4H2,1H3,(H,8,10)