1-[(1-prop-2-ynylindol-3-yl)methylideneamino]thiourea

Systemtic Name: 1-[(1-prop-2-ynylindol-3-yl)methylideneamino]thiourea Openeye Name: [(1-prop-2-ynylindol-3-yl)methyleneamino]thiourea CAS Name: [(1-prop-2-ynyl-3-indolyl)methylideneamino]thiourea IUPAC Name: [(1-prop-2-ynylindol-3-yl)methylideneamino]thiourea Traditional Name: [(1-propargylindol-3-yl)methyleneamino]thiourea Formula: C13H12N4S MolecularWeight: 256.32618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)C=NNC(=S)N

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)C=NNC(=S)N

InChI

InChI=1S/C13H12N4S/c1-2-7-17-9-10(8-15-16-13(14)18)11-5-3-4-6-12(11)17/h1,3-6,8-9H,7H2,(H3,14,16,18)