4-hexyl-5-indol-3-ylidene-1,2,4-triazolidine-3-thione

Systemtic Name: 4-hexyl-5-indol-3-ylidene-1,2,4-triazolidine-3-thione Openeye Name: 4-hexyl-5-indol-3-ylidene-1,2,4-triazolidine-3-thione CAS Name: 4-hexyl-5-(3-indolylidene)-1,2,4-triazolidine-3-thione IUPAC Name: 4-hexyl-5-indol-3-ylidene-1,2,4-triazolidine-3-thione Traditional Name: 4-hexyl-5-indol-3-ylidene-1,2,4-triazolidine-3-thione Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NNC1=S

Isomeric SMILES

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NNC1=S

InChI

InChI=1S/C16H20N4S/c1-2-3-4-7-10-20-15(18-19-16(20)21)13-11-17-14-9-6-5-8-12(13)14/h5-6,8-9,11,18H,2-4,7,10H2,1H3,(H,19,21)